Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90225442

Structure

InChI Key OTKYKZFJTYEDBX-MVIOUDGNSA-N
Smiles NCCNC(=O)C(O)C(O)C(O)C(O)CO
InChI
InChI=1S/C8H18N2O6/c9-1-2-10-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,11-15H,1-3,9H2,(H,10,16)/t4-,5+,6-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2O6
Molecular Weight 238.12
AlogP -3.66
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 159.76
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 74426-36-1
NORMAN SUSDAT
PubChem 22861457
ChemSpider 18815372.0